8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H18BrClN2O3 — CID 166330448

IUPAC8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)OC1=O
InChIInChI=1S/C16H18BrClN2O3/c1-19-10-16(23-15(19)22)4-6-20(7-5-16)14(21)8-11-2-3-12(18)9-13(11)17/h2-3,9H,4-8,10H2,1H3
InChIKeyPTJOBTRYPWXNFN-UHFFFAOYSA-N
MW401.69 g/mol
LogP3.09
Rot. Bonds2

About 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 166330448) has the molecular formula C16H18BrClN2O3 and a molecular weight of 401.69 g/mol. Its IUPAC name is 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID166330448
Molecular FormulaC16H18BrClN2O3
Molecular Weight401.69 g/mol
Exact Mass400.02
IUPAC Name8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)OC1=O
InChIInChI=1S/C16H18BrClN2O3/c1-19-10-16(23-15(19)22)4-6-20(7-5-16)14(21)8-11-2-3-12(18)9-13(11)17/h2-3,9H,4-8,10H2,1H3
InChIKeyPTJOBTRYPWXNFN-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.69
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(3-bromo-4-methoxyphenyl)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166330446
4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
CID 72848716
8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760134
3-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 56892297
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704956
(5R)-9-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717790
(5S)-3-methyl-7-[2-(5-oxo-2-phenylcyclopenten-1-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723669
(5S)-7-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95724274
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
(5S)-9-[3-(3,4-dimethoxyphenyl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724380
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736
N-[(4-methoxy-2-methylphenyl)methyl]-2-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 167846684

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 166330448) is 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3Br)CC2)OC1=O.
What is the InChIKey of 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PTJOBTRYPWXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O3/c1-19-10-16(23-15(19)22)4-6-20(7-5-16)14(21)8-11-2-3-12(18)9-13(11)17/h2-3,9H,4-8,10H2,1H3.
What are the key properties of 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 401.69 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-bromo-4-chlorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166330448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).